PDB entry 4l5b



Structure
SpacegroupP 41
Cell dimensionsa: 68.671 Åb: 68.671 Åc: 120.019 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution1.94 Å

Experimental data
ReflectionsAll: 40225Test set: 2019 (5.0%)
Resolution range27.34 Å1.94 Å

R-values etc.
From PDB headerCalculated from dataAfter conservative optimisationAfter full optimisation
R0.18800.18850.18240.1849
R-free0.23300.21590.21370.2159
σR-free 0.00480.00480.0048
R-free Z-score 2.791.691.87

WHAT_CHECK validation
Original PDB entryConservatively optimisedFully optimised
1st generation packing quality1-0.0620.2510.282
2nd generation packing quality1-2.115-1.736-1.485
Ramachandran plot appearance1-2.616-1.141-1.204
Chi-1/Chi-2 rotamer normality1-4.071-2.786-2.521
Backbone conformation1-0.352-0.262-0.326
Bond length RMS Z-score20.5400.6800.688
Bond angle RMS Z-score20.7620.8800.877
Total number of bumps3876256
Unsatisfied H-bond donors/acceptors3363037
Full WHAT_CHECK reportsLink LinkLink

1 Higher is better
2 Should be lower than 1.000
3 Fewer is better

Electron density map validation
Real-space correlation coefficientReal-space R-factor
Significantly improved residues393
Significantly deteriorated residues1512
Changes of all residuesPlot Plot

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